Hello,
I'd note that the older version of parmchk2 (AmberTools15) and the current
release of parmchk will put dummy parameters for non-library atoms.
After adding atomic masses and some dummy VdW parameters they can be used
for QMMD and QM/MM/MD with amber if they are included in the QM region.
It might be nice if there was an option in parmchk2 to suppress/ignore
errors like this just to have a properly formatted frcmod file.
-DP
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Received on Thu Mar 16 2017 - 12:30:02 PDT
